N-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide

C24H24ClNO2 — CID 4693519

IUPACN-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C24H24ClNO2/c1-3-17(2)19-8-12-22(13-9-19)26-24(27)20-6-4-18(5-7-20)16-28-23-14-10-21(25)11-15-23/h4-15,17H,3,16H2,1-2H3,(H,26,27)
InChIKeyLOXOLFRMPODQNA-UHFFFAOYSA-N
MW393.91 g/mol
LogP6.68
Rot. Bonds7

About N-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide

N-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide (PubChem CID 4693519) has the molecular formula C24H24ClNO2 and a molecular weight of 393.91 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide
PubChem CID4693519
Molecular FormulaC24H24ClNO2
Molecular Weight393.91 g/mol
Exact Mass393.15
IUPAC NameN-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C24H24ClNO2/c1-3-17(2)19-8-12-22(13-9-19)26-24(27)20-6-4-18(5-7-20)16-28-23-14-10-21(25)11-15-23/h4-15,17H,3,16H2,1-2H3,(H,26,27)
InChIKeyLOXOLFRMPODQNA-UHFFFAOYSA-N
XLogP6.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.91
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide (CID 4693519) is N-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide is CCC(C)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide?
The InChIKey is LOXOLFRMPODQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO2/c1-3-17(2)19-8-12-22(13-9-19)26-24(27)20-6-4-18(5-7-20)16-28-23-14-10-21(25)11-15-23/h4-15,17H,3,16H2,1-2H3,(H,26,27).
What are the key properties of N-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide?
N-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide has a molecular weight of 393.91 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-[(4-chlorophenoxy)methyl]benzamide is sourced from PubChem (CID 4693519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).